Home Other Building Blocks Boc-(S)-2-(aMinoMethyl)-4-Methylpentanoic acid

Boc-(S)-2-(aMinoMethyl)-4-Methylpentanoic acid

CAS No.:
828254-18-8
Catalog Number:
AG00G839
Molecular Formula:
C12H23NO4
Molecular Weight:
245.3153
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Product Description
Catalog Number:
AG00G839
Chemical Name:
Boc-(S)-2-(aMinoMethyl)-4-Methylpentanoic acid
CAS Number:
828254-18-8
Molecular Formula:
C12H23NO4
Molecular Weight:
245.3153
MDL Number:
MFCD07372886
IUPAC Name:
(2S)-4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
InChI:
InChI=1S/C12H23NO4/c1-8(2)6-9(10(14)15)7-13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15)/t9-/m0/s1
InChI Key:
WWKOREWJYZNXDX-VIFPVBQESA-N
SMILES:
CC(C[C@H](C(=O)O)CNC(=O)OC(C)(C)C)C
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
245.163g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
245.319g/mol
Monoisotopic Mass:
245.163g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties